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Related entries of code: 5aqq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ldqRCSB PDB    PDBbind114aa, >3LDQ_2|Chain... at 99%
3m3zRCSB PDB    PDBbind114aa, >3M3Z_2|Chain... at 99%
5aqfRCSB PDB    PDBbind118aa, >5AQF_2|Chains... *
5aqgRCSB PDB    PDBbind118aa, >5AQG_2|Chains... at 100%
5aqhRCSB PDB    PDBbind118aa, >5AQH_2|Chain... at 100%
5aqjRCSB PDB    PDBbind118aa, >5AQJ_2|Chains... at 100%
5aqkRCSB PDB    PDBbind118aa, >5AQK_2|Chain... at 100%
5aqnRCSB PDB    PDBbind118aa, >5AQN_2|Chains... at 100%
5aqoRCSB PDB    PDBbind118aa, >5AQO_2|Chains... at 100%
5aqpRCSB PDB    PDBbind118aa, >5AQP_2|Chains... at 100%
5aqrRCSB PDB    PDBbind118aa, >5AQR_2|Chains... at 100%
5aqtRCSB PDB    PDBbind118aa, >5AQT_2|Chain... at 100%
5aquRCSB PDB    PDBbind118aa, >5AQU_2|Chain... at 100%
5aqvRCSB PDB    PDBbind118aa, >5AQV_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5aqq
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHSP70
Ligand NameBBW
EC.Number E.C.-.-.-.-
Resolution 2.72(Å)
Affinity (Kd/Ki/IC50)Kd=0.8mM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Sci Rep Vol. 6: pp. 34701-34701
Ligand Properties
Formula C9H9N3
Molecular Weight 159.188
Exact Mass 159.080
No. of atoms 21
No. of bonds 22
Polar Surface Area 51.8
LOGP Value 1.56      (Computed with XLOGP3)
2.10      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P11142  Q99933  
Entrez Gene IDNCBI Entrez Gene ID: 3312  573  
ASDInformation of known allosteric effects of PDB entries
 
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